Combined two-temperature method and coarse-grained molecular dynamic model in femtosecond laser ablation at large spatiotemporal scale

Abstract

Molecular dynamics simulations represent a robust approach for investigating femtosecond laser ablation while facing significant limitations on the scale of simulation models. In this study, we address this challenge by employing coarse-grained methodologies to markedly reduce the computational expense of the model. The resultant one-dimensional model demonstrates material responses that closely approximate those of an all-atom model across various parameters. Building upon this foundation, a large-scale two-dimensional model is established, extending to hundreds of micrometers, which facilitates direct comparisons with experimental findings. Additionally, a long-duration model capable of simulating up to 10 ns is developed. The computational efficiency of this model is estimated to be 676 times greater than traditional approaches.